1-chlorotetradeca-1,3,5,7,9,11,13-heptayne

C14HCl — CID 59121956

IUPAC1-chlorotetradeca-1,3,5,7,9,11,13-heptayne
SMILESC#CC#CC#CC#CC#CC#CC#CCl
InChIInChI=1S/C14HCl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h1H
InChIKeyJYARHFVGKKHDFF-UHFFFAOYSA-N
MW204.61 g/mol
LogP0.84
Rot. Bonds

About 1-chlorotetradeca-1,3,5,7,9,11,13-heptayne

1-chlorotetradeca-1,3,5,7,9,11,13-heptayne (PubChem CID 59121956) has the molecular formula C14HCl and a molecular weight of 204.61 g/mol. Its IUPAC name is 1-chlorotetradeca-1,3,5,7,9,11,13-heptayne.

Molecular Properties

Compound Name1-chlorotetradeca-1,3,5,7,9,11,13-heptayne
PubChem CID59121956
Molecular FormulaC14HCl
Molecular Weight204.61 g/mol
Exact Mass203.98
IUPAC Name1-chlorotetradeca-1,3,5,7,9,11,13-heptayne
SMILESC#CC#CC#CC#CC#CC#CC#CCl
InChIInChI=1S/C14HCl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h1H
InChIKeyJYARHFVGKKHDFF-UHFFFAOYSA-N
XLogP0.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.61
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chlorotetradeca-1,3,5,7,9,11,13-heptayne?
The IUPAC name of 1-chlorotetradeca-1,3,5,7,9,11,13-heptayne (CID 59121956) is 1-chlorotetradeca-1,3,5,7,9,11,13-heptayne.
What is the SMILES notation for 1-chlorotetradeca-1,3,5,7,9,11,13-heptayne?
The canonical SMILES for 1-chlorotetradeca-1,3,5,7,9,11,13-heptayne is C#CC#CC#CC#CC#CC#CC#CCl.
What is the InChIKey of 1-chlorotetradeca-1,3,5,7,9,11,13-heptayne?
The InChIKey is JYARHFVGKKHDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14HCl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h1H.
What are the key properties of 1-chlorotetradeca-1,3,5,7,9,11,13-heptayne?
1-chlorotetradeca-1,3,5,7,9,11,13-heptayne has a molecular weight of 204.61 g/mol, XLogP of 0.84, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chlorotetradeca-1,3,5,7,9,11,13-heptayne is sourced from PubChem (CID 59121956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).